9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine

C18H15NO2S — CID 59572270

IUPAC9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine
SMILESCOc1cc(C)ccc1N1c2ccccc2Sc2ccoc21
InChIInChI=1S/C18H15NO2S/c1-12-7-8-13(15(11-12)20-2)19-14-5-3-4-6-16(14)22-17-9-10-21-18(17)19/h3-11H,1-2H3
InChIKeyXSICKGITOZPFEI-UHFFFAOYSA-N
MW309.39 g/mol
LogP5.53
Rot. Bonds2

About 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine

9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine (PubChem CID 59572270) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine
PubChem CID59572270
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine
SMILESCOc1cc(C)ccc1N1c2ccccc2Sc2ccoc21
InChIInChI=1S/C18H15NO2S/c1-12-7-8-13(15(11-12)20-2)19-14-5-3-4-6-16(14)22-17-9-10-21-18(17)19/h3-11H,1-2H3
InChIKeyXSICKGITOZPFEI-UHFFFAOYSA-N
XLogP5.53
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine?
The IUPAC name of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine (CID 59572270) is 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine?
The canonical SMILES for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine is COc1cc(C)ccc1N1c2ccccc2Sc2ccoc21.
What is the InChIKey of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine?
The InChIKey is XSICKGITOZPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-12-7-8-13(15(11-12)20-2)19-14-5-3-4-6-16(14)22-17-9-10-21-18(17)19/h3-11H,1-2H3.
What are the key properties of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine?
9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine has a molecular weight of 309.39 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 59572270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).